SCHEMBL3384979

SCHEMBL3384979

OCc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 3/20 0.38
TRPV6 Q9H1D0 1/20 0.38
POLB P06746 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3384580 0.82 SMN1; SMN2 (0.36) PKMSMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL13617486 0.82 SMN1; SMN2 (0.36) PKMSMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL3384573 0.82 SMN1; SMN2 (0.38) PKMSMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL3382067 0.82 ALDH1A1 (0.40) PKMSMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL3382410 0.75 SETD7 (0.33)
SCHEMBL3380030 0.74 KCNH2 (0.40) MEN1KMT2AALDH1A1
SCHEMBL3381244 0.72
SCHEMBL3385537 0.72 LTA4H (0.37) CYP2D6MEN1KMT2AALDH1A1CYP2C19
SCHEMBL3379231 0.70 OPRM1 (0.39) PKMSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3380014 0.69 PARP2 (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 PKM 960/4885SMN1; SMN2 2726/4885CYP2D6 210/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 PKM 960/4885SMN1; SMN2 2726/4885CYP2D6 210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.